4-[[5-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]-1-benzofuran-7-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]-1-benzofuran-7-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[5-[(6-oxo-1H-pyridazin-3-yl)methyl]benzofuran-7-carbonyl]benzonitrile CAS Name: 4-[oxo-[5-[(6-oxo-1H-pyridazin-3-yl)methyl]-7-benzofuranyl]methyl]benzonitrile IUPAC Name: 4-[5-[(6-oxo-1H-pyridazin-3-yl)methyl]-1-benzofuran-7-carbonyl]benzonitrile Traditional Name: 4-[5-[(6-keto-1H-pyridazin-3-yl)methyl]benzofuran-7-carbonyl]benzonitrile Formula: C21H13N3O3 MolecularWeight: 355.34622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3

InChI

InChI=1S/C21H13N3O3/c22-12-13-1-3-15(4-2-13)20(26)18-11-14(9-16-7-8-27-21(16)18)10-17-5-6-19(25)24-23-17/h1-9,11H,10H2,(H,24,25)